5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine

C14H13F3N2O — CID 103824040

IUPAC5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
SMILESCc1cncc(NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H13F3N2O/c1-10-5-12(9-18-7-10)19-8-11-3-2-4-13(6-11)20-14(15,16)17/h2-7,9,19H,8H2,1H3
InChIKeyVVRCDXMZQFKXBJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.90
Rot. Bonds4

About 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine

5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine (PubChem CID 103824040) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
PubChem CID103824040
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
SMILESCc1cncc(NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H13F3N2O/c1-10-5-12(9-18-7-10)19-8-11-3-2-4-13(6-11)20-14(15,16)17/h2-7,9,19H,8H2,1H3
InChIKeyVVRCDXMZQFKXBJ-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
CID 73253844
2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
CID 107104507
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine
CID 75386276
3-[[(5-methyl-3-pyridinyl)amino]methyl]benzamide
CID 103824002
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107633358
3-(tert-butylamino)-4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 18922802
2-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenoxy]propanoic acid
CID 142113374
5-bromo-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-3-amine
CID 133318444
5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
CID 103824113

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine (CID 103824040) is 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine is Cc1cncc(NCc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
The InChIKey is VVRCDXMZQFKXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-10-5-12(9-18-7-10)19-8-11-3-2-4-13(6-11)20-14(15,16)17/h2-7,9,19H,8H2,1H3.
What are the key properties of 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine?
5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine has a molecular weight of 282.27 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 103824040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).